SCHEMBL10108512

SCHEMBL10108512

CC(C)N1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.83
DRD4 P21917 6/20 0.77
DRD2 P14416 6/20 0.77
DRD3 P35462 6/20 0.77
CHRM1 P11229 5/20 0.77
HRH1 P35367 4/20 0.77
ADRA2A P08913 4/20 0.77
HTR2A P28223 4/20 0.77
HRH2 P25021 3/20 0.77
CHRM2 P08172 3/20 0.77
HTR1A P08908 3/20 0.77
ADRA2B P18089 3/20 0.77
ADRA2C P18825 3/20 0.77
CHRM3 P20309 3/20 0.77
DRD1 P21728 3/20 0.77
SLC6A2 P23975 3/20 0.77
HTR2C P28335 3/20 0.77
SLC6A4 P31645 3/20 0.77
ADRA1A P35348 3/20 0.77
OPRM1 P35372 3/20 0.77

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3834014 0.91 HRH4 (1.00) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL19386241 0.87 HRH4 (1.00) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL29374082 0.87 HRH4 (1.00) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL94146 0.87 HRH4 (1.00) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL30324780 0.87 HRH4 (1.00) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL29482385 0.87 HRH4 (1.00) HRH4DRD4DRD2DRD3CHRM1
SCHEMBL7256287 0.86 HRH4 (0.76) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL30903930 0.86 HRH4 (0.98) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL4164270 0.86 HRH4 (0.98) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL41625 0.86 HRH4 (0.98) HRH4DRD4DRD2DRD3CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200200765-A1 BROAD SPECTRUM GPCR BINDING AGENTS PROMEGA CORPORATION 2020-06-25 US disclosed
US-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20110136790-A1 Tricyclic Heterocyclic Derivatives and Methods of Use DE LERA RUIZ MANUEL 2011-06-09 US disclosed
US-20110136790-A1 Tricyclic Heterocyclic Derivatives and Methods of Use DE LERA RUIZ MANUEL 2011-06-09 US disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200200765-A1 BROAD SPECTRUM GPCR BINDING AGENTS GPR139, GPR4, GPR3 HRH4 283/4885DRD4 618/4885DRD2 258/4885
US-20110136790-A1 Tricyclic Heterocyclic Derivatives and Methods of Use GPR119, CNR1, CNR2 HRH4 5/4885DRD4 1241/4885DRD2 594/4885
US-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT HRH4 736/4885DRD4 1775/4885DRD2 1316/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.